N6-(3-chloranyl-4-methyl-phenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-chloranyl-4-methyl-phenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N6-(3-chloro-4-methyl-phenyl)-N4-methyl-pyrimidine-4,5,6-triamine CAS Name: N6-(3-chloro-4-methylphenyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-6-N-(3-chloro-4-methylphenyl)-4-N-methylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-methyl-anilino)pyrimidin-4-yl]-benzyl-methyl-amine Formula: C19H20ClN5 MolecularWeight: 353.8486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N)Cl

InChI

InChI=1S/C19H20ClN5/c1-13-8-9-15(10-16(13)20)24-18-17(21)19(23-12-22-18)25(2)11-14-6-4-3-5-7-14/h3-10,12H,11,21H2,1-2H3,(H,22,23,24)